5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine

C15H12F3N3 — CID 79500344

IUPAC5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)c(F)c2)N1c1ccc(F)cc1
InChIInChI=1S/C15H12F3N3/c16-10-2-4-11(5-3-10)21-14(8-20-15(21)19)9-1-6-12(17)13(18)7-9/h1-7,14H,8H2,(H2,19,20)
InChIKeyRSTVRSPJPKVNJO-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.98
Rot. Bonds2

About 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine

5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79500344) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79500344
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)c(F)c2)N1c1ccc(F)cc1
InChIInChI=1S/C15H12F3N3/c16-10-2-4-11(5-3-10)21-14(8-20-15(21)19)9-1-6-12(17)13(18)7-9/h1-7,14H,8H2,(H2,19,20)
InChIKeyRSTVRSPJPKVNJO-UHFFFAOYSA-N
XLogP2.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79500344) is 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(F)c(F)c2)N1c1ccc(F)cc1.
What is the InChIKey of 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is RSTVRSPJPKVNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c16-10-2-4-11(5-3-10)21-14(8-20-15(21)19)9-1-6-12(17)13(18)7-9/h1-7,14H,8H2,(H2,19,20).
What are the key properties of 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 291.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79500344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).